8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine

C16H24N2 — CID 146497600

IUPAC8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine
SMILESCCC1(C)C=CC2=NC(C)(C(C)C)C=CN2C=C1
InChIInChI=1S/C16H24N2/c1-6-15(4)8-7-14-17-16(5,13(2)3)10-12-18(14)11-9-15/h7-13H,6H2,1-5H3
InChIKeyPDMGMJIFURVLEH-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.13
Rot. Bonds2

About 8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine

8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine (PubChem CID 146497600) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine.

Molecular Properties

Compound Name8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine
PubChem CID146497600
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine
SMILESCCC1(C)C=CC2=NC(C)(C(C)C)C=CN2C=C1
InChIInChI=1S/C16H24N2/c1-6-15(4)8-7-14-17-16(5,13(2)3)10-12-18(14)11-9-15/h7-13H,6H2,1-5H3
InChIKeyPDMGMJIFURVLEH-UHFFFAOYSA-N
XLogP4.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine?
The IUPAC name of 8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine (CID 146497600) is 8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine.
What is the SMILES notation for 8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine?
The canonical SMILES for 8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine is CCC1(C)C=CC2=NC(C)(C(C)C)C=CN2C=C1.
What is the InChIKey of 8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine?
The InChIKey is PDMGMJIFURVLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-6-15(4)8-7-14-17-16(5,13(2)3)10-12-18(14)11-9-15/h7-13H,6H2,1-5H3.
What are the key properties of 8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine?
8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine has a molecular weight of 244.38 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine is sourced from PubChem (CID 146497600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).